2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide

C20H20N4O2 — CID 154754431

IUPAC2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide
SMILESNC(=O)c1ccccc1CC(=O)N1CCC(n2cc3ccccc3n2)C1
InChIInChI=1S/C20H20N4O2/c21-20(26)17-7-3-1-5-14(17)11-19(25)23-10-9-16(13-23)24-12-15-6-2-4-8-18(15)22-24/h1-8,12,16H,9-11,13H2,(H2,21,26)
InChIKeyONGLKHDQUBBCNM-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.15
Rot. Bonds4

About 2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide

2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 154754431) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide
PubChem CID154754431
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide
SMILESNC(=O)c1ccccc1CC(=O)N1CCC(n2cc3ccccc3n2)C1
InChIInChI=1S/C20H20N4O2/c21-20(26)17-7-3-1-5-14(17)11-19(25)23-10-9-16(13-23)24-12-15-6-2-4-8-18(15)22-24/h1-8,12,16H,9-11,13H2,(H2,21,26)
InChIKeyONGLKHDQUBBCNM-UHFFFAOYSA-N
XLogP2.15
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide (CID 154754431) is 2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide is NC(=O)c1ccccc1CC(=O)N1CCC(n2cc3ccccc3n2)C1.
What is the InChIKey of 2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is ONGLKHDQUBBCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-20(26)17-7-3-1-5-14(17)11-19(25)23-10-9-16(13-23)24-12-15-6-2-4-8-18(15)22-24/h1-8,12,16H,9-11,13H2,(H2,21,26).
What are the key properties of 2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide?
2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-indazol-2-ylpyrrolidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 154754431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).